CID 3072530

142944-41-0

Structural Information

Molecular Formula
C26H32N4O2
SMILES
CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C26H32N4O2/c1-27-24-10-9-21(32-2)19-23(24)22-11-14-30(26(31)25(22)27)13-6-12-28-15-17-29(18-16-28)20-7-4-3-5-8-20/h3-5,7-10,19H,6,11-18H2,1-2H3
InChIKey
JNZLYCRXGZPFOT-UHFFFAOYSA-N
Compound name
6-methoxy-9-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.25253 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.25981 211.7
[M+Na]+ 455.24175 217.7
[M-H]- 431.24525 216.7
[M+NH4]+ 450.28635 219.0
[M+K]+ 471.21569 209.7
[M+H-H2O]+ 415.24979 198.1
[M+HCOO]- 477.25073 222.2
[M+CH3COO]- 491.26638 217.9
[M+Na-2H]- 453.22720 209.3
[M]+ 432.25198 210.5
[M]- 432.25308 210.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.